ethyl N-methylcarbamate;formaldehyde

C5H11NO3 — CID 160650405

IUPACethyl N-methylcarbamate;formaldehyde
SMILESC=O.CCOC(=O)NC
InChIInChI=1S/C4H9NO2.CH2O/c1-3-7-4(6)5-2;1-2/h3H2,1-2H3,(H,5,6);1H2
InChIKeyRKIMTPJLXSOBKZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.18
Rot. Bonds1

About ethyl N-methylcarbamate;formaldehyde

ethyl N-methylcarbamate;formaldehyde (PubChem CID 160650405) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl N-methylcarbamate;formaldehyde.

Molecular Properties

Compound Nameethyl N-methylcarbamate;formaldehyde
PubChem CID160650405
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl N-methylcarbamate;formaldehyde
SMILESC=O.CCOC(=O)NC
InChIInChI=1S/C4H9NO2.CH2O/c1-3-7-4(6)5-2;1-2/h3H2,1-2H3,(H,5,6);1H2
InChIKeyRKIMTPJLXSOBKZ-UHFFFAOYSA-N
XLogP0.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methylcarbamate;formaldehyde?
The IUPAC name of ethyl N-methylcarbamate;formaldehyde (CID 160650405) is ethyl N-methylcarbamate;formaldehyde.
What is the SMILES notation for ethyl N-methylcarbamate;formaldehyde?
The canonical SMILES for ethyl N-methylcarbamate;formaldehyde is C=O.CCOC(=O)NC.
What is the InChIKey of ethyl N-methylcarbamate;formaldehyde?
The InChIKey is RKIMTPJLXSOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH2O/c1-3-7-4(6)5-2;1-2/h3H2,1-2H3,(H,5,6);1H2.
What are the key properties of ethyl N-methylcarbamate;formaldehyde?
ethyl N-methylcarbamate;formaldehyde has a molecular weight of 133.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylcarbamate;formaldehyde is sourced from PubChem (CID 160650405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).